14 research outputs found
Photoinduced charge separation in Q1D heterojunction materials: Evidence for electron-hole pair separation in mixed-halide solids
Resonance Raman experiments on doped and photoexcited single crystals of
mixed-halide complexes (=Pt; =Cl,Br) clearly indicate charge
separation: electron polarons preferentially locate on PtBr segments while hole
polarons are trapped within PtCl segments. This polaron selectivity,
potentially very useful for device applications, is demonstrated theoretically
using a discrete, 3/4-filled, two-band, tight-binding, extended Peierls-Hubbard
model. Strong hybridization of the PtCl and PtBr electronic bands is the
driving force for separation.Comment: n LaTeX, figures available by mail from JTG ([email protected]
Pressure-induced phase transitions of halogen-bridged binuclear metal complexes R_4[Pt_2(P_2O_5H_2)_4X]nH_2O
Recent contrasting observations for halogen (X)-bridged binuclear platinum
complexes R_4[Pt_2(P_2O_5H_2)_4X]nH_2O, that is, pressure-induced Peierls and
reverse Peierls instabilities, are explained by finite-temperature Hartree-Fock
calculations. It is demonstrated that increasing pressure transforms the
initial charge-polarization state into a charge-density-wave state at high
temperatures, whereas the charge-density-wave state oppositely declines with
increasing pressure at low temperatures. We further predict that
higher-pressure experiments should reveal successive phase transitions around
room temperature.Comment: 5 pages, 4 figures embedded, to be published in Phys. Rev. B 64,
September 1 (2001) Rapid Commu
Quantum Breathers in a Nonlinear Lattice
We study nonlinear phonon excitations in a one-dimensional quantum nonlinear
lattice model using numerical exact diagonalization. We find that multi-phonon
bound states exist as eigenstates which are natural counterparts of breather
solutions of classical nonlinear systems. In a translationally invariant
system, these quantum breather states form particle-like bands and are
characterized by a finite correlation length. The dynamic structure factor has
significant intensity for the breather states, with a corresponding quenching
of the neighboring bands of multi-phonon extended states.Comment: 4 pages, RevTex, 4 postscript figures, Physical Relview Letters (in
press
Nonadiabatic effects in a generalized Jahn-Teller lattice model: heavy and light polarons, pairing and metal-insulator transition
The ground state polaron potential of 1D lattice of two-level molecules with
spinless electrons and two Einstein phonon modes with quantum phonon-assisted
transitions between the levels is found anharmonic in phonon displacements. The
potential shows a crossover from two nonequivalent broad minima to a single
narrow minimum corresponding to the level positions in the ground state.
Generalized variational approach implies prominent nonadiabatic effects:(i) In
the limit of the symmetric E-e Jahn- Teller situation they cause transition
between the regime of the predominantly one-level "heavy" polaron and a "light"
polaron oscillating between the levels due to phonon assistance with almost
vanishing polaron displacement. It implies enhancement of the electron transfer
due to decrease of the "heavy" polaron mass (undressing) at the point of the
transition. Pairing of "light" polarons due to exchange of virtual phonons
occurs. Continuous transition to new energy ground state close to the
transition from "heavy" polaron phase to "light" (bi)polaron phase occurs. In
the "heavy" phase, there occurs anomalous (anharmonic) enhancements of quantum
fluctuations of the phonon coordinate, momentum and their product as functions
of the effective coupling. (ii) Dependence of the polaron mass on the optical
phonon frequency appears.(iii) Rabi oscillations significantly enhance quantum
shift of the insulator-metal transition line to higher values of the critical
effective e-ph coupling supporting so the metallic phase. In the E-e JT case,
insulator-metal transition coincide with the transition between the "heavy" and
the "light" (bi)polaron phase at certain (strong) effective e-ph interaction.Comment: Paper in LaTex format (file jtseptx.tex) and 9 GIF-figures
(ppic_1.gif,...ppic_9.gif
Soliton excitations in halogen-bridged mixed-valence binuclear metal complexes
Motivated by recent stimulative observations in halogen (X)-bridged binuclear
transition-metal (M) complexes, which are referred to as MMX chains, we study
solitons in a one-dimensional three-quarter-filled charge-density-wave system
with both intrasite and intersite electron-lattice couplings. Two distinct
ground states of MMX chains are reproduced and the soliton excitations on them
are compared. In the weak-coupling region, all the solitons are degenerate to
each other and are uniquely scaled by the band gap, whereas in the
strong-coupling region, they behave differently deviating from the scenario in
the continuum limit. The soliton masses are calculated and compared with those
for conventional mononuclear MX chains.Comment: 9 pages, 10 figures embedded, to be published in J. Phys. Soc. Jpn.
71, No. 1 (2002
Characterization of halogen-bridged binuclear metal complexes as hybridized two-band materials
We study the electronic structure of halogen-bridged binuclear metal (MMX)
complexes with a two-band Peierls-Hubbard model. Based on a symmetry argument,
various density-wave states are derived and characterized. The ground-state
phase diagram is drawn within the Hartree-Fock approximation, while the thermal
behavior is investigated using a quantum Monte Carlo method. All the
calculations conclude that a typical MMX compound Pt_2(CH_3CS_2)_4I should
indeed be regarded as a d-p-hybridized two-band material, where the oxidation
of the halogen ions must be observed even in the ground state, whereas another
MMX family (NH_4)_4[Pt_2(P_2O_5H_2)_4X] may be treated as single-band
materials.Comment: 16 pages, 11 figures embedded, to be published in Phys. Rev.
Reference Force Field and CDW Amplitude of Mixed-Valence Halogen-Bridged Pt Complexes
The spectroscopic effects of electron-phonon coupling in mixed-valence
chlorine-bridged Pt chains complexes are investigated through a parallel
infrared and Raman study of three compounds with decreasing Pt-Pt distance
along the chain. The e-ph interaction is analyzed in terms of the
Herzberg-Teller coupling scheme. We take into account the quadratic term and
define a precise reference state. The force field relevant to this state is
constructed, whereas the electronic structure is analyzed in terms of a simple
phenomenological model, singling out a trimeric unit along the chain. In this
way we are able to account for all the available optical data of the three
compounds, and to estimate the relevant microscopic parameters, such as the
e-ph coupling constants and the CDW amplitude.Comment: 10 pages, compressed postscript, 6 Tables and 5 Figures also in a
compressed ps.Z file. Revision is in the submission format only (postscript
instead of tex